bis(1-propan-2-ylcyclohexyl)azanium; tetrakis[2,3,5,6-tetrakis(fluoranyl)-4-methyl-phenyl]boranuide

Systemtic Name: bis(1-propan-2-ylcyclohexyl)azanium; tetrakis[2,3,5,6-tetrakis(fluoranyl)-4-methyl-phenyl]boranuide Openeye Name: bis(1-isopropylcyclohexyl)ammonium; tetrakis(2,3,5,6-tetrafluoro-4-methyl-phenyl)boranuide CAS Name: bis(1-propan-2-ylcyclohexyl)ammonium; tetrakis(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide IUPAC Name: bis(1-propan-2-ylcyclohexyl)azanium; tetrakis(2,3,5,6-tetrafluoro-4-methylphenyl)boranuide Traditional Name: bis(1-isopropylcyclohexyl)ammonium; tetrakis(2,3,5,6-tetrafluoro-4-methyl-phenyl)boranuide Formula: C46H48BF16N MolecularWeight: 929.665471

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=C(C(=C(C(=C1F)F)C)F)F)(C2=C(C(=C(C(=C2F)F)C)F)F)(C3=C(C(=C(C(=C3F)F)C)F)F)C4=C(C(=C(C(=C4F)F)C)F)F.CC(C)C1(CCCCC1)[NH2+]C2(CCCCC2)C(C)C

Isomeric SMILES

[B-](C1=C(C(=C(C(=C1F)F)C)F)F)(C2=C(C(=C(C(=C2F)F)C)F)F)(C3=C(C(=C(C(=C3F)F)C)F)F)C4=C(C(=C(C(=C4F)F)C)F)F.CC(C)C1(CCCCC1)[NH2+]C2(CCCCC2)C(C)C

InChI

InChI=1S/C28H12BF16.C18H35N/c1-5-13(30)21(38)9(22(39)14(5)31)29(10-23(40)15(32)6(2)16(33)24(10)41,11-25(42)17(34)7(3)18(35)26(11)43)12-27(44)19(36)8(4)20(37)28(12)45;1-15(2)17(11-7-5-8-12-17)19-18(16(3)4)13-9-6-10-14-18/h1-4H3;15-16,19H,5-14H2,1-4H3/q-1;/p+1